1.0 2016-09-30 23:36:52 UTC 2020-05-11 18:31:46 UTC BMDB0007414 BMDB07414 DG(20:2(11Z,14Z)/14:0/0:0) Diacylglycerol(20:2/14:0) Diacylglycerol(34:2) Diglyceride DAG(20:2/14:0) Diacylglycerol DAG(34:2) 1-Eicosadienoyl-2-myristoyl-sn-glycerol DG(34:2) 1-(11Z,14Z-Eicosadienoyl)-2-tetradecanoyl-sn-glycerol DG(20:2/14:0) DG(20:2(11Z,14Z)/14:0/0:0) C37H68O5 592.9328 592.506675286 (2S)-3-hydroxy-2-(tetradecanoyloxy)propyl (11Z,14Z)-icosa-11,14-dienoate diacylglycerol [H][C@](CO)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC InChI=1S/C37H68O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-21-14-12-10-8-6-4-2/h11,13,16-17,35,38H,3-10,12,14-15,18-34H2,1-2H3/b13-11-,17-16-/t35-/m0/s1 IFICCERBULNVSQ-CJZWHCSYSA-N belongs to the class of organic compounds known as 1,2-diacylglycerols. These are diacylglycerols containing a glycerol acylated at positions 1 and 2. Organic compounds Lipids and lipid-like molecules Glycerolipids Diradylglycerols 1,2-diacylglycerols Carbonyl compounds Carboxylic acid esters Dicarboxylic acids and derivatives Fatty acid esters Hydrocarbon derivatives Organic oxides Primary alcohols 1,2-acyl-sn-glycerol Alcohol Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dicarboxylic acid or derivatives Fatty acid ester Fatty acyl Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Primary alcohol Aliphatic acyclic compounds Solid logp 10.00 ALOGPS logs -7.62 ALOGPS logp 12.17 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S)-3-hydroxy-2-(tetradecanoyloxy)propyl (11Z,14Z)-icosa-11,14-dienoate ChemAxon average_mass 592.9328 ChemAxon mono_mass 592.506675286 ChemAxon smiles [H][C@](CO)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC ChemAxon formula C37H68O5 ChemAxon inchi InChI=1S/C37H68O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-21-14-12-10-8-6-4-2/h11,13,16-17,35,38H,3-10,12,14-15,18-34H2,1-2H3/b13-11-,17-16-/t35-/m0/s1 ChemAxon inchikey IFICCERBULNVSQ-CJZWHCSYSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 179.13 ChemAxon polarizability 76.75 ChemAxon rotatable_bond_count 34 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 39360 Specdb::CMs 282935 Specdb::CMs 424727 Specdb::MsMs 585820 Specdb::MsMs 585821 Specdb::MsMs 585822 Specdb::MsMs 2350372 Specdb::MsMs 2350373 Specdb::MsMs 2350374 Specdb::MsMs 2587924 Specdb::MsMs 2587925 Specdb::MsMs 2587926 Specdb::MsMs 2877167 Specdb::MsMs 2877168 Specdb::MsMs 2877169 Specdb::MsMs 3042196 Specdb::MsMs 3042197 Specdb::MsMs 3042198 All Tissues Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 53478219 89034 FDB024607